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2863-23-2 | Androst-5-en-17-one, 3,7-bis(acetyloxy)-, (3β,7α)-
CAS No: 2863-23-2 Catalog No: AG002VWS MDL No:
Product Description
Catalog Number:
AG002VWS
Chemical Name:
Androst-5-en-17-one, 3,7-bis(acetyloxy)-, (3β,7α)-
CAS Number:
2863-23-2
Molecular Formula:
C23H32O5
Molecular Weight:
388.4972
IUPAC Name:
[(3S,7S,8R,9S,10R,13S,14S)-7-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C23H32O5/c1-13(24)27-16-7-9-22(3)15(11-16)12-19(28-14(2)25)21-17-5-6-20(26)23(17,4)10-8-18(21)22/h12,16-19,21H,5-11H2,1-4H3/t16-,17-,18-,19+,21-,22-,23-/m0/s1
InChI Key:
RQRVSSFVZZFPRR-KJFLTHLTSA-N
SMILES:
CC(=O)O[C@@H]1C=C2C[C@H](CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CCC(=O)[C@]1(CC2)C)C)OC(=O)C
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
388.225g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.504g/mol
Monoisotopic Mass:
388.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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